| .. |
|
dune
|
Parallelized ERI with Domainslib
|
2023-06-16 18:27:23 +02:00 |
|
electron_nucleus.ml
|
Provided example
|
2020-10-19 18:33:02 +02:00 |
|
electron_nucleus.mli
|
Renamed Gaussian_basis into Gaussian
|
2020-10-10 10:59:09 +02:00 |
|
eri_long_range.ml
|
Renamed Gaussian_basis into Gaussian
|
2020-10-10 10:59:09 +02:00 |
|
eri.ml
|
Renamed Gaussian_basis into Gaussian
|
2020-10-10 10:59:09 +02:00 |
|
f12_rr.ml
|
Renamed Gaussian_basis into Gaussian
|
2020-10-10 10:59:09 +02:00 |
|
f12.ml
|
Removed Qcaml_ prefixes
|
2020-10-09 09:47:57 +02:00 |
|
kinetic.ml
|
Provided example
|
2020-10-19 18:33:02 +02:00 |
|
kinetic.mli
|
Initial new repo
|
2020-09-26 12:02:53 +02:00 |
|
matrix_on_basis.mli
|
Provided example
|
2020-10-19 18:33:02 +02:00 |
|
multipole.ml
|
MP2 OK
|
2021-01-01 16:39:33 +01:00 |
|
multipole.mli
|
Provided example
|
2020-10-19 18:33:02 +02:00 |
|
one_electron_rr.ml
|
Renamed Gaussian_basis into Gaussian
|
2020-10-10 10:59:09 +02:00 |
|
orthonormalization.ml
|
Merge branch 'dev' of gitlab.com:scemama/QCaml into dev
|
2020-10-18 01:59:47 +02:00 |
|
orthonormalization.mli
|
Renamed Gaussian_basis into Gaussian
|
2020-10-10 10:59:09 +02:00 |
|
overlap_primitives.ml
|
Removed Qcaml_ prefixes
|
2020-10-09 09:47:57 +02:00 |
|
overlap.ml
|
Provided example
|
2020-10-19 18:33:02 +02:00 |
|
overlap.mli
|
Initial new repo
|
2020-09-26 12:02:53 +02:00 |
|
screened_eri.ml
|
Renamed Gaussian_basis into Gaussian
|
2020-10-10 10:59:09 +02:00 |
|
two_electron_integrals.ml
|
Improved parallel efficiency
|
2023-06-17 01:06:39 +02:00 |
|
two_electron_integrals.mli
|
Renamed Gaussian_basis into Gaussian
|
2020-10-10 10:59:09 +02:00 |
|
two_electron_rr_vectorized.ml
|
Merge branch 'dev' of gitlab.com:scemama/QCaml into dev
|
2020-10-18 01:59:47 +02:00 |
|
two_electron_rr.ml
|
Renamed Gaussian_basis into Gaussian
|
2020-10-10 10:59:09 +02:00 |
|
zero_m_parameters.ml
|
Removed Qcaml_ prefixes
|
2020-10-09 09:47:57 +02:00 |
